3-(2,4-dimethoxyphenyl)-2-{[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-2-{[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one
3-(2,4-dimethoxyphenyl)-2-{[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0428 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-2-{[3-methyl-4-(4-methylphenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 529.6 |
| Molecular Formula: | C29 H31 N5 O5 |
| Smiles: | CC1CN(CCN1c1ccc(C)cc1)CC1=Nc2ccc(cc2C(N1c1ccc(cc1OC)OC)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9355 |
| logD: | 3.9353 |
| logSw: | -4.0227 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.332 |
| InChI Key: | RCMYORKYIHADAV-FQEVSTJZSA-N |